(3-Bromophenyl)sulfur pentafluoride - CAS 672-30-0

Catalog:	BB033218
Product Name:	(3-Bromophenyl)sulfur pentafluoride
CAS:	672-30-0
Synonyms:	(3-bromophenyl)-pentafluoro-lambda6-sulfane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-bromophenyl)-pentafluoro-λ6-sulfane
Description:	(3-Bromophenyl)sulfur pentafluoride (CAS# 672-30-0) is a reactant in the preparation of blue-to-green emitting neutral Ir(III) complexes bearing pentafluorosulfanyl groups.
Molecular Weight:	283.06
Molecular Formula:	C6H4BrF5S
Canonical SMILES:	C1=CC(=CC(=C1)Br)S(F)(F)(F)(F)F
InChI:	InChI=1S/C6H4BrF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H
InChI Key:	QRPMKEUTGAXKSD-UHFFFAOYSA-N
Purity:	95 %
Density:	1.831 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD03425927
LogP:	5.10650

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Sulfur Compounds

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[85-47-2]
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GHS Hazard Statement:	H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.91372
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	281.91372
Rotatable Bond Count:	0
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.9